N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H19N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H19N3O3ClFS |
| Smiles | O=C(c1cc(S(N2CCCCC2)(=O)=O)ccc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C19H19ClFN3O3S/c20-17-8-5-9-18(21)16(17)13-22-23-19(25)14-6-4-7-15(12-14)28(26,27)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11H2,(H,23,25) |
| InChIK | PSPQLRNEFPKKGV-UHFFFAOYSA-N |
| TotalMolweight | 423.895 |
| Molweight | 423.895 |
| MonoisotopicMass | 423.081967 |
| CLogP | 4.1152 |
| CLogS | -4.866 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.94 |
| Relative PSA | 0.22493 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.0191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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